4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol

C23H34O4 — CID 123340621

IUPAC4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol
SMILESC=CC1OC2C3=C(C)CCC(O)(CC4C5COC5CCC4(C)C2O1)C3(C)C
InChIInChI=1S/C23H34O4/c1-6-17-26-19-18-13(2)7-10-23(24,21(18,3)4)11-15-14-12-25-16(14)8-9-22(15,5)20(19)27-17/h6,14-17,19-20,24H,1,7-12H2,2-5H3
InChIKeyUBPPXIIIGWJQNN-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.99
Rot. Bonds1

About 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol

4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol (PubChem CID 123340621) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol.

Molecular Properties

Compound Name4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol
PubChem CID123340621
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol
SMILESC=CC1OC2C3=C(C)CCC(O)(CC4C5COC5CCC4(C)C2O1)C3(C)C
InChIInChI=1S/C23H34O4/c1-6-17-26-19-18-13(2)7-10-23(24,21(18,3)4)11-15-14-12-25-16(14)8-9-22(15,5)20(19)27-17/h6,14-17,19-20,24H,1,7-12H2,2-5H3
InChIKeyUBPPXIIIGWJQNN-UHFFFAOYSA-N
XLogP3.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol?
The IUPAC name of 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol (CID 123340621) is 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol.
What is the SMILES notation for 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol?
The canonical SMILES for 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol is C=CC1OC2C3=C(C)CCC(O)(CC4C5COC5CCC4(C)C2O1)C3(C)C.
What is the InChIKey of 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol?
The InChIKey is UBPPXIIIGWJQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-6-17-26-19-18-13(2)7-10-23(24,21(18,3)4)11-15-14-12-25-16(14)8-9-22(15,5)20(19)27-17/h6,14-17,19-20,24H,1,7-12H2,2-5H3.
What are the key properties of 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol?
4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol has a molecular weight of 374.52 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-16-ol is sourced from PubChem (CID 123340621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).